Geometry & MOs

Info

ID:	259433
PubChem CID:	103165719
Reduced:	BrClOC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	317.94418
ΔH_f, kcal/mol:	-35.26
Dipole, Da:	2.12
IP(EA), eV:	-8.97(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-(1-bromo-2-cyclobutylethyl)benzene

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(CC2CCC2)Br)Cl

DOS

IR

Vibrations